Li3TiV2O6

Li3TiV2O6 is a semiconducting lithium titanate compound designed for potential use as an anode material in electrochemical energy storage.

Crystal structure of Li3TiV2O6
Ground-state structure · Materials Project
Overview

About Li3TiV2O6

Li3TiV2O6 is a complex titanate anode material characterized by its semiconducting electronic nature. Its position near the thermodynamic hull suggests it is a viable candidate for synthesis and further experimental investigation in energy storage systems.

As a member of the titanate class, this compound is studied for its potential to facilitate lithium-ion transport. Its structural properties make it an intriguing subject for researchers aiming to optimize anode performance in next-generation electrochemical devices.

At a glance

Key Properties

Cross-validated computational properties for Li3TiV2O6, aggregated across 3 databases.

Band Gap

0.14–0.37 eV
Range across DFT structures

Energy Above Hull

0.022 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

8
3 databases, 3 space groups
Uses

Applications

Where Li3TiV2O6 is used.

Lithium-ion battery anodesElectrochemical energy storage research
Reference

Frequently Asked Questions

Common questions about Li3TiV2O6, answered from cross-validated data.

What is Li3TiV2O6?

Li3TiV2O6 is a semiconducting lithium titanate compound designed for potential use as an anode material in electrochemical energy storage.

More questions
What is Li3TiV2O6 used for?
Li3TiV2O6 is used in lithium-ion battery anodes and electrochemical energy storage research.
What is the band gap of Li3TiV2O6?
Li3TiV2O6 has a DFT-computed band gap of 0.14–0.37 eV across 8 reported structures.
Is Li3TiV2O6 a metal, semiconductor, or insulator?
With a band gap up to 0.37 eV it is a semiconductor.
Is Li3TiV2O6 thermodynamically stable?
Li3TiV2O6 has a lowest energy above hull of 0.022 eV/atom (near hull (likely stable)).
How many polymorphs of Li3TiV2O6 are known?
8 structures of Li3TiV2O6 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li3TiV2O6 contain?
Li3TiV2O6 contains Li, O, Ti, and V (4 elements).
Where does the data for Li3TiV2O6 come from?
Li3TiV2O6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the titanate anodes class.

Within the diverse family of titanate anodes, Li3TiV2O6 occupies a distinct chemical space compared to more common binary-based structures like Li2TiO3. While many siblings such as Li2TiVO4 are extensively characterized for their redox activity, this compound represents a unique stoichiometry that expands the compositional landscape of vanadium-doped titanate materials.

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Related Compounds

Other Titanate Anodes in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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